2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine

C15H27N5O — CID 80980968

IUPAC2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NCCN1CCOCC1
InChIInChI=1S/C15H27N5O/c1-11-12(16)18-14(15(2,3)4)19-13(11)17-5-6-20-7-9-21-10-8-20/h5-10H2,1-4H3,(H3,16,17,18,19)
InChIKeySIOLWXGGTHAEHL-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.41
Rot. Bonds4

About 2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine

2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80980968) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID80980968
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NCCN1CCOCC1
InChIInChI=1S/C15H27N5O/c1-11-12(16)18-14(15(2,3)4)19-13(11)17-5-6-20-7-9-21-10-8-20/h5-10H2,1-4H3,(H3,16,17,18,19)
InChIKeySIOLWXGGTHAEHL-UHFFFAOYSA-N
XLogP1.41
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-2,5-dimethyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80778253
3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80982844
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80982944
3,5-dichloro-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-diamine
CID 102755704
5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138122
2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80983916
6-ethoxy-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 82455409
6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane
CID 145022023
2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327553
6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 67328297
1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
CID 80993136
2,5,6-trimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 23740566

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine (CID 80980968) is 2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine is Cc1c(N)nc(C(C)(C)C)nc1NCCN1CCOCC1.
What is the InChIKey of 2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is SIOLWXGGTHAEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-12(16)18-14(15(2,3)4)19-13(11)17-5-6-20-7-9-21-10-8-20/h5-10H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 293.42 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80980968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).